Geometry & MOs

Info

ID:	131552
PubChem CID:	51225837
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	5.21
IP(EA), eV:	-8.07(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)CNC1=CC2=C(C=C1)C3=CC=CC=C3C2

DOS

IR

Vibrations